CID 479046

1-cyclopropyl-6-fluoro-7-(5-hydroxypentylamino)-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H21FN2O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCCO)F)C(=O)O
InChI
InChI=1S/C18H21FN2O4/c19-14-8-12-16(9-15(14)20-6-2-1-3-7-22)21(11-4-5-11)10-13(17(12)23)18(24)25/h8-11,20,22H,1-7H2,(H,24,25)
InChIKey
DUNPYAVVSBXICN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(5-hydroxypentylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.14853 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15581 177.4
[M+Na]+ 371.13775 186.7
[M-H]- 347.14125 180.5
[M+NH4]+ 366.18235 184.5
[M+K]+ 387.11169 179.5
[M+H-H2O]+ 331.14579 168.9
[M+HCOO]- 393.14673 194.9
[M+CH3COO]- 407.16238 215.6
[M+Na-2H]- 369.12320 179.0
[M]+ 348.14798 181.2
[M]- 348.14908 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.